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| CAS No.: | 3779-27-9 |
|---|---|
| Name: | 2,2'-BITHIOPHENE-5-CARBOXALDEHYDE |
| Article Data: | 64 |
| Molecular Structure: | |
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| Formula: | C9H6OS2 |
| Molecular Weight: | 194.278 |
| Synonyms: | 2,2'-Bithienyl-5-carbaldehyde;5-(2-Thienyl)-2-thiophenecarboxaldehyde;5-(Thiophen-2-yl)thiophene-2-carbaldehyde;5-Formyl-2,2'-bithienyl;5-Formyl-2,2'-bithiophene;5-Formyl-2,2'-dithienyl;NSC 630688;[2,2']Bithiophenyl-5-carbaldehyde;[2,2']Bithiophenyl-5-carboxaldehyde; |
| Density: | 1.336g/cm3 |
| Melting Point: | 55-58 °C(lit.) |
| Boiling Point: | 340 °C at 760 mmHg |
| Flash Point: | 159.4 °C |
| Appearance: | yellow-brown to brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Safety: | 24/25 |
| PSA: | 73.55000 |
| LogP: | 3.28910 |
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Specification
The [2,2'-Bithiophene]-5-carboxaldehyde, with CAS registry number 3779-27-9, belongs to the following product categories: (1)Heterocyclic Compounds; (2)Functional Materials; (3)Reagents for Conducting Polymer Research; (4)Thiophene Derivatives (for Conduting Polymer Research); (5)Building Blocks; (6)Heterocyclic Building Blocks; (7)Thiophenes. It has the systematic name of 2,2'-bithiophene-5-carbaldehyde. This chemical is a kind of yellow-brown to brown crystalline powder. And it should be stored in the refrigerator. When use this chemical, avoid contact with skin and eyes.
Physical properties of [2,2'-Bithiophene]-5-carboxaldehyde: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 73.55 Å2; (7)Index of Refraction: 1.671; (8)Molar Refractivity: 54.36 cm3; (9)Molar Volume: 145.3 cm3; (10)Polarizability: 21.55×10-24cm3; (11)Surface Tension: 52.9 dyne/cm; (12)Density: 1.336 g/cm3; (13)Flash Point: 159.4 °C; (14)Enthalpy of Vaporization: 58.35 kJ/mol; (15)Boiling Point: 340 °C at 760 mmHg; (16)Vapour Pressure: 8.85E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by thiophene and 5-iodo-thiophene-2-carbaldehyde. This reaction time is 1 hour(s). The yield is about 70%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2sc(c1sccc1)cc2
(2)InChI: InChI=1/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
(3)InChIKey: FYBWRAXKYXTOQC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
(5)Std. InChIKey: FYBWRAXKYXTOQC-UHFFFAOYSA-N